SIC OpenIR
Assessing the adsorption and photocatalytic activity of TiO2 nanoparticles for the gas phase acetaldehyde: A computational and experimental study
Mahmood, A; Shi, GS; Xie, XF; Sun, J
2020-04-05
Source PublicationJOURNAL OF ALLOYS AND COMPOUNDS
ISSN0925-8388
SubtypeArticle
AbstractHerein, we report the photocatalytic activity of TiO2 NPs for the photodegradation of gas-phase acetaldehyde. TiO2 NPs with different morphologies were synthesized by using a hydrothermal method, which display distinctive dominant facets, including {001}, {101}, and {010}. The specific surface area values of TiO2 NPs showing different dominant facets, i.e., {001}, {101}, and {010} being measured as 92, 43.45, and 19 m(2)g(-1), respectively. A 100% photodegradation efficiency (PE) could be achieved with TiO2 {001} NPs for 500 ppm acetaldehyde with a flowing rate of 10 sccm, while those of TiO2 NPs with dominant {101} and {010} facets exhibited low PE such as 83% and 62%, respectively. The first principle calculation revealed that acetaldehyde molecule strongly adsorbs (E-ads = 0.606 eV) on TiO2 (001) surface while only weakly interacts with TiO2 (101) and (010) surfaces. We calculated the bandgap values of TiO2 NPs with different exposed facets, i.e., {001}, {101}, and {010} facets as 3.26, 3.23, and 3.21 eV, respectively. As an innovative exploration, this study isolates the photocatalytic activity of TiO2 NPs with unique morphologies and exposed facets, which can be exploited for the development of a potential photocatalyst for the photodegradation of other VOCs. (C) 2019 Elsevier B.V. All rights reserved.
DOI10.1016/j.jallcom.2019.153055
WOS KeywordVOLATILE ORGANIC-COMPOUNDS ; TOTAL-ENERGY CALCULATIONS ; PHOTOELECTROCHEMICAL PERFORMANCE ; DEGRADATION ; OXYGEN ; FILMS ; EFFICIENCY ; REMOVAL ; VOCS ; PHOTOREACTIVITY
Language英语
WOS Research AreaChemistry ; Materials Science ; Metallurgy & Metallurgical Engineering
PublisherELSEVIER SCIENCE SA
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/28152
Collection中国科学院上海硅酸盐研究所
Recommended Citation
GB/T 7714
Mahmood, A,Shi, GS,Xie, XF,et al. Assessing the adsorption and photocatalytic activity of TiO2 nanoparticles for the gas phase acetaldehyde: A computational and experimental study[J]. JOURNAL OF ALLOYS AND COMPOUNDS,2020.
APA Mahmood, A,Shi, GS,Xie, XF,&Sun, J.(2020).Assessing the adsorption and photocatalytic activity of TiO2 nanoparticles for the gas phase acetaldehyde: A computational and experimental study.JOURNAL OF ALLOYS AND COMPOUNDS.
MLA Mahmood, A,et al."Assessing the adsorption and photocatalytic activity of TiO2 nanoparticles for the gas phase acetaldehyde: A computational and experimental study".JOURNAL OF ALLOYS AND COMPOUNDS (2020).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Mahmood, A]'s Articles
[Shi, GS]'s Articles
[Xie, XF]'s Articles
Baidu academic
Similar articles in Baidu academic
[Mahmood, A]'s Articles
[Shi, GS]'s Articles
[Xie, XF]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Mahmood, A]'s Articles
[Shi, GS]'s Articles
[Xie, XF]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.